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2-Methylcyclopentanone

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Name

2-Methylcyclopentanone

EINECS 214-318-4
CAS No. 1120-72-5 Density 0.933 g/cm3
PSA 17.07000 LogP 1.37550
Solubility soluble in water Melting Point -75°C
Formula C6H10O Boiling Point 141.647 °C at 760 mmHg
Molecular Weight 98.1448 Flash Point 32.701 °C
Transport Information UN 1224 3/PG 3 Appearance clear colourless to very slightly yellow liquid
Safety 16-29-33 Risk Codes 10
Molecular Structure Molecular Structure of 1120-72-5 (2-Methylcyclopentanone) Hazard Symbols FlammableF
Synonyms

Cyclopentanone,2-methyl-, (?à)-;NSC 105429;a-Methylcyclopentanone;

Article Data 188

2-Methylcyclopentanone Specification

The CAS register number of 2-Methylcyclopentanone is 1120-72-5. It also can be called as Cyclopentanone,2-methyl- and the IUPAC name about this chemical is 2-methylcyclopentan-1-one. The molecular formula about this chemical is C6H10O and the molecular weight is 98.14. It belongs to the following product categories which include C3 to C6; Carbonyl Compounds; Ketones and so on.

Physical properties about 2-Methylcyclopentanone are: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.97; (5)ACD/BCF (pH 7.4): 1.97; (6)ACD/KOC (pH 5.5): 56.54; (7)ACD/KOC (pH 7.4): 56.54; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07Å2; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 27.89 cm3; (12)Molar Volume: 105.2 cm3; (13)Polarizability: 11.05x10-24cm3; (14)Surface Tension: 28.8 dyne/cm; (15)Flash Point: 32.7 °C; (16)Enthalpy of Vaporization: 37.88 kJ/mol; (17)Boiling Point: 141.6 °C at 760 mmHg; (18)Vapour Pressure: 5.8 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(trimethylsiloxy)cyclopentene and iodomethane. This reaction will need reagent AgOCOCF3 and solvent CH2Cl2. The reaction time is 10 min with reaction temperature of 25 °C. The yield is about 78%.

Uses of 2-Methylcyclopentanone: it can be used to produce 2-methyl-cyclopentanol. This reaction will need reagent LAH.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, please keep away from sources of ignition and take precautionary measures against static discharges, moreover, you should not empty into drains.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(C)CCC1
(2)InChI: InChI=1/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
(3)InChIKey: ZIXLDMFVRPABBX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
(5)Std. InChIKey: ZIXLDMFVRPABBX-UHFFFAOYSA-N

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